Information card for entry 4101878

Structure parameters

• Common name: rac-1,1'-ditertbutylethylenylferrocene
• Formula: C20 H28 Fe
• Calculated formula: C20 H28 Fe
• Title of publication: Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes
• Authors of publication: David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1988 - 1998
• a: 31.1903 ± 0.0013 Å
• b: 9.7393 ± 0.0004 Å
• c: 8.3897 ± 0.0003 Å
• α: 90°
• β: 97.722 ± 0.002°
• γ: 90°
• Cell volume: 2525.44 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No